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Name	3-Acetamido-2,4,6-triiodobenzoic acid sodium salt	EINECS	204-956-1
CAS No.	129-63-5	Density	N/A
PSA	69.23000	LogP	1.89530
Solubility	N/A	Melting Point	N/A
Formula	C₉H₅I₃NNaO₃	Boiling Point	547.1 °C at 760 mmHg
Molecular Weight	578.847	Flash Point	284.7 °C
Transport Information	N/A	Appearance	N/A
Safety	Mildly toxic by intravenous route. When heated to decomposition it emits very toxic fumes of NO_x, Na₂O, and HI.	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Benzoicacid, 3-(acetylamino)-2,4,6-triiodo-, monosodium salt (9CI);Benzoic acid,3-acetamido-2,4,6-triiodo-, monosodium salt (8CI);Benzoic acid,3-acetamido-2,4,6-triiodo-, sodium salt (6CI,7CI);

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt Chemical Properties

Molecule structure of 3-Acetamido-2,4,6-triiodobenzoic acid sodium salt (CAS NO.129-63-5) :

IUPAC Name: Sodium 3-acetamido-2,4,6-triiodobenzoate
Molecular Weight: 578.84408 g/mol
Molecular Formula: C₉H₅I₃NNaO₃
Boiling Point: 547.1 °C at 760 mmHg
Flash Point: 284.7 °C
Enthalpy of Vaporization: 86.96 kJ/mol
Vapour Pressure: 8.39E-13 mmHg at 25 °C
log P (octanol-water): 2.260
Water Solubility: 9.42E+05 mg/L
Atmospheric OH Rate Constant: 7.30E-13 cm³/molecule-sec
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Tautomer Count: 2
Exact Mass: 578.730117
MonoIsotopic Mass: 578.730117
Topological Polar Surface Area: 69.2
Heavy Atom Count: 17
Complexity: 305
Canonical SMILES: CC(=O)NC1=C(C=C(C(=C1I)C(=O)[O-])I)I.[Na+]
InChI: InChI=1S/C9H6I3NO3.Na/c1-3(14)13-8-5(11)2-4(10)6(7(8)12)9(15)16;/h2H,1H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKey: UCPVOMHRDXMAIZ-UHFFFAOYSA-M
EINECS: 204-956-1

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt Toxicity Data With Reference

1.	ivn-mus LD50:9956 mg/kg	JACSAT Journal of the American Chemical Society. 74 (1952),4365.
2.	ims-mus LD50:12,156 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 117 (1956),307.
3.	ivn-rat LDLo:7500 mg/kg CLDND*
4.	ivn-dog LD50:6300 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 116 (1956),394.
5.	ivn-cat LD50:5650 mg/kg CLDND*
6.	ivn-rbt LD50:5200 mg/kg	JPETAB Journal of Pharmacology and Experimental Therapeutics. 116 (1956),394.

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt Safety Profile

Mildly toxic by intravenous route. When heated to decomposition it emits very toxic fumes of NO_x, Na₂O, and HI.

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt Specification

3-Acetamido-2,4,6-triiodobenzoic acid sodium salt (CAS NO.129-63-5) is also called 2,4,6-Trijod-3-acetaminobenzosaeure natrium [German] ; Acetrizoate de sodium [INN-French] ; Acetrizoate sodium ; Acetrizoic acid sodium salt ; Acidum acetrizoicum ; Bronchoselectan ; Cystokon ; Iodopaque ; Natrii acetrizoas [INN-Latin] ; Pyelokon-R ; Sodium 3-acetamido-2,4,6-triiodobenzoate ; Sodium acetrizoate ; Triopac 200 ; Triopas ; Triumbren ; Urokon Sodium ; Vesamin . 3-Acetamido-2,4,6-triiodobenzoic acid sodium salt (CAS NO.129-63-5) is low toxic. It is flammable. It will produce highly toxic nitrogen oxides, and oxidation of sodium iodide smoke by heat. So the storage environment should be ventilate, low-temperature and dry.

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